tert-Butyl 5-iodo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine-1-carboxylate - CAS 1198426-57-1
Catalog: |
BB004669 |
Product Name: |
tert-Butyl 5-iodo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine-1-carboxylate |
CAS: |
1198426-57-1 |
Synonyms: |
tert-butyl 5-iodo-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate |
IUPAC Name: | tert-butyl 5-iodo-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate |
Description: | tert-Butyl 5-iodo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine-1-carboxylate (CAS# 1198426-57-1) is a useful research chemical. |
Molecular Weight: | 362.16 |
Molecular Formula: | C12H15IN2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC2=C1C=CN=C2I |
InChI: | InChI=1S/C12H15IN2O3/c1-12(2,3)18-11(16)15-6-7-17-9-8(15)4-5-14-10(9)13/h4-5H,6-7H2,1-3H3 |
InChI Key: | QVZVDFZAPHWSFX-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD13176667 |
LogP: | 2.88510 |
Publication Number | Title | Priority Date |
AU-2015328285-B2 | Heteroaryl compounds as BTK inhibitors and uses thereof | 20141006 |
CA-2960401-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
EP-3204382-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
JP-2017533897-A | Heteroaryl compounds and their use as BTK inhibitors | 20141006 |
KR-20170066566-A | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.01274 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.01274 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Pyridines
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